SCHEMBL23401331

SCHEMBL23401331

COc1ccc(-n2nc(O)c(C(C)(C)C)c2C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPBWR1 P48145 4/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
PDE4D Q08499 1/20 0.35
RPA1 P27694 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23401290 0.84 CDK8 (0.41) LMNACNR1CNR2ALDH1A1MAPK13
SCHEMBL23401238 0.82 ALDH1A1 (0.41) LMNACNR1CNR2ALDH1A1MAPK13
SCHEMBL23402764 0.81 PDE4D (0.46) LMNACNR1CNR2ALDH1A1PTGS1
SCHEMBL23402895 0.81 LMNA (0.44) LMNAALDH1A1PTGS1PTGS2NPBWR1
SCHEMBL23402964 0.81 LMNA (0.38) LMNACNR1CNR2ALDH1A1PTGS1
SCHEMBL23400104 0.80 CNR1 (0.38) LMNACNR1CNR2ALDH1A1PTGS1
SCHEMBL23400282 0.78 NPBWR1 (0.41) LMNAALDH1A1PTGS1PTGS2NPBWR1
SCHEMBL23400844 0.77 NPBWR1 (0.38) LMNAALDH1A1PTGS1PTGS2NPBWR1
SCHEMBL23401325 0.76 RPA1 (0.47) LMNAALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23403380 0.75 LMNA (0.48) LMNAALDH1A1PTGS1PTGS2NPBWR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed